1-cyclopropyl-2-ethylsulfanylethanone

C7H12OS — CID 63907128

IUPAC1-cyclopropyl-2-ethylsulfanylethanone
SMILESCCSCC(=O)C1CC1
InChIInChI=1S/C7H12OS/c1-2-9-5-7(8)6-3-4-6/h6H,2-5H2,1H3
InChIKeyLVNMWKJLURNXPN-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclopropyl-2-ethylsulfanylethanone

1-cyclopropyl-2-ethylsulfanylethanone (PubChem CID 63907128) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethylsulfanylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-ethylsulfanylethanone
PubChem CID63907128
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-cyclopropyl-2-ethylsulfanylethanone
SMILESCCSCC(=O)C1CC1
InChIInChI=1S/C7H12OS/c1-2-9-5-7(8)6-3-4-6/h6H,2-5H2,1H3
InChIKeyLVNMWKJLURNXPN-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethylsulfanylethanone?
The IUPAC name of 1-cyclopropyl-2-ethylsulfanylethanone (CID 63907128) is 1-cyclopropyl-2-ethylsulfanylethanone.
What is the SMILES notation for 1-cyclopropyl-2-ethylsulfanylethanone?
The canonical SMILES for 1-cyclopropyl-2-ethylsulfanylethanone is CCSCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethylsulfanylethanone?
The InChIKey is LVNMWKJLURNXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-9-5-7(8)6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-2-ethylsulfanylethanone?
1-cyclopropyl-2-ethylsulfanylethanone has a molecular weight of 144.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethylsulfanylethanone is sourced from PubChem (CID 63907128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).